In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2009 | 15 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.58 | 8.05 | -34.85 | 2 | 1 | 1 | 17 | 226.409 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.58 | 7.04 | -1.74 | 1 | 1 | 0 | 12 | 225.401 | 7 | ↓ |